Monomers

4-(4-Methoxyphenyl)-1-butene

Identifiers

IUPAC name
1-but-3-enyl-4-methoxybenzene
InchI
InChI=1S/C11H14O/c1-3-4-5-10-6-8-11(12-2)9-7-10/h3,6-9H,1,4-5H2,2H3
InchI Key
CLTMQCGFHLPTBB-UHFFFAOYSA-N
SMILES
COc1ccc(cc1)CCC=C
Canonical SMILES
COC1=CC=C(C=C1)CCC=C
Isomeric SMILES
COC1=CC=C(C=C1)CCC=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H14O
Heavy Atom Count
12
Molecular Weight
162.232
Exact Molecular Weight
162.1045
Valence Electrons
64
Radical Electrons
0
tPSA
9.23
MolLogP
2.8138
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 26 26  0  0  0  0  0  0  0  0999 V2000
   -4.0794   -0.2949    1.0115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2162   -1.1591    0.3211 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9566   -0.7603   -0.1363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1682   -1.6713   -0.8072 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0684   -1.2439   -1.2443 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5263    0.0399   -1.0331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2661    0.9577   -0.3581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5033    0.5253    0.0777 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8681    0.4638   -1.5206 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8963    0.1945   -0.4436 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5420    0.9657    0.7850 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3004    0.3617    1.9293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6388    0.3088    0.2699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5158    0.3001    1.7389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8161   -0.9250    1.5640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4924   -2.6955   -0.9949 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6979   -1.9602   -1.7764 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0777    1.9764   -0.1814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1136    1.2583    0.6062 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1562   -0.1275   -2.4053 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8839    1.5326   -1.8217 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9567   -0.8851   -0.2632 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8883    0.5686   -0.7715 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4989    2.0492    0.6656 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0472    0.9273    2.8037 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3583   -0.7072    1.9849 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  3
  8  3  1  0
  1 13  1  0
  1 14  1  0
  1 15  1  0
  4 16  1  0
  5 17  1  0
  7 18  1  0
  8 19  1  0
  9 20  1  0
  9 21  1  0
 10 22  1  0
 10 23  1  0
 11 24  1  0
 12 25  1  0
 12 26  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers